SCHEMBL6602001

SCHEMBL6602001

COC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
FKBP1A P62942 1/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
BDKRB1 P46663 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6600331 1.00 KMT2A (0.44) KMT2ANPC1LMNAMAPTTSHR
SCHEMBL6605132 0.88 MEN1 (0.45) KMT2ALMNAMAPTMEN1SMN1; SMN2
SCHEMBL6600328 0.88 MEN1 (0.45) KMT2ALMNAMAPTMEN1SMN1; SMN2
SCHEMBL6601856 0.86 AVPR2 (0.49) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL6600378 0.86 AVPR2 (0.49) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL6604130 0.85 HTR6 (0.43) KMT2ALMNAMAPTTSHRMEN1
SCHEMBL6601432 0.85 HTR6 (0.43) KMT2ALMNAMAPTTSHRMEN1
SCHEMBL6600175 0.83 ALDH1A1 (0.43) KMT2ANPC1LMNAMAPTTSHR
SCHEMBL6601252 0.82 HTR6 (0.43) KMT2ALMNAMAPTTSHRMEN1
SCHEMBL6600495 0.82 LMNA (0.43) KMT2ALMNAMAPTTSHRMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877736-B1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMA CO LTD (JP) 2004-04-21 EP disclosed
US-6096736-A Benzazepine derivatives with vasopressin agonistic activity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0877736-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-11-18 EP disclosed
WO-1997022591-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-06-26 WO disclosed